1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran

C18H17BrO3 — CID 154711366

IUPAC1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(Br)c(/C=C/C2OCc3cc(OC)ccc32)c1
InChIInChI=1S/C18H17BrO3/c1-20-14-4-6-16-13(10-14)11-22-18(16)8-3-12-9-15(21-2)5-7-17(12)19/h3-10,18H,11H2,1-2H3/b8-3+
InChIKeyIFNPXQQPTLTTLM-FPYGCLRLSA-N
MW361.24 g/mol
LogP4.75
Rot. Bonds4

About 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran

1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran (PubChem CID 154711366) has the molecular formula C18H17BrO3 and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran
PubChem CID154711366
Molecular FormulaC18H17BrO3
Molecular Weight361.24 g/mol
Exact Mass360.04
IUPAC Name1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(Br)c(/C=C/C2OCc3cc(OC)ccc32)c1
InChIInChI=1S/C18H17BrO3/c1-20-14-4-6-16-13(10-14)11-22-18(16)8-3-12-9-15(21-2)5-7-17(12)19/h3-10,18H,11H2,1-2H3/b8-3+
InChIKeyIFNPXQQPTLTTLM-FPYGCLRLSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,4E)-1,5-bis(2-bromo-5-methoxyphenyl)penta-1,4-dien-3-one
CID 85469362
3-(2-bromo-5-methoxyphenyl)prop-2-en-1-ol
CID 169454365
(1S)-2-bromo-1-[(3S,4S)-7-methoxy-4-[(E)-2-phenylethenyl]-3,4-dihydro-1H-isochromen-3-yl]ethanol
CID 46868015
1-bromo-2-[(E)-3-chlorobut-1-enyl]-4-methoxybenzene
CID 130538931
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]methanamine
CID 143158579
(3R,4R)-3-butyl-7-methoxy-4-methyl-3,4-dihydro-1H-isochromene
CID 177207233
4,7-dimethoxy-3,4-dihydro-1H-isochromene
CID 14530781
8-methoxy-2,3,4,4a,6,10b-hexahydro-1H-isochromeno[4,3-b]pyridine
CID 177207224
3-(2-bromo-5-methoxyphenyl)oxetane
CID 172992069
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
CID 170899412
1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran (CID 154711366) is 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran is COc1ccc(Br)c(/C=C/C2OCc3cc(OC)ccc32)c1.
What is the InChIKey of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran?
The InChIKey is IFNPXQQPTLTTLM-FPYGCLRLSA-N. The full InChI is InChI=1S/C18H17BrO3/c1-20-14-4-6-16-13(10-14)11-22-18(16)8-3-12-9-15(21-2)5-7-17(12)19/h3-10,18H,11H2,1-2H3/b8-3+.
What are the key properties of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran?
1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran has a molecular weight of 361.24 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-5-methoxy-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 154711366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).